2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine

C13H14ClN3O2S — CID 159278230

IUPAC2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1Nc1ccccc1CS(C)(=O)=O
InChIInChI=1S/C13H14ClN3O2S/c1-9-7-15-13(14)17-12(9)16-11-6-4-3-5-10(11)8-20(2,18)19/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyCOXSKIBDPNDINN-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.73
Rot. Bonds4

About 2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine

2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine (PubChem CID 159278230) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine
PubChem CID159278230
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1Nc1ccccc1CS(C)(=O)=O
InChIInChI=1S/C13H14ClN3O2S/c1-9-7-15-13(14)17-12(9)16-11-6-4-3-5-10(11)8-20(2,18)19/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyCOXSKIBDPNDINN-UHFFFAOYSA-N
XLogP2.73
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine
CID 157222009
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075964
2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 79076599
2,5-dichloro-N-(2-propylphenyl)pyrimidin-4-amine
CID 79632081
2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine
CID 114043687
5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
CID 24903530
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
CID 103586890
2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine
CID 129046624
tert-butyl 2-[2-[[2-chloro-5-(1-ethoxyethenyl)pyrimidin-4-yl]amino]phenyl]acetate
CID 152863381
2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 163444806
2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine
CID 157289200
2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
CID 5271601

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine (CID 159278230) is 2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine is Cc1cnc(Cl)nc1Nc1ccccc1CS(C)(=O)=O.
What is the InChIKey of 2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine?
The InChIKey is COXSKIBDPNDINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9-7-15-13(14)17-12(9)16-11-6-4-3-5-10(11)8-20(2,18)19/h3-7H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine?
2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine has a molecular weight of 311.79 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 159278230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).